COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.963  -0.130  -0.859  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.680   1.355  -0.021  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.388   1.160  -0.557  1.00  0.00           C  
HETATM    4  C   UNL     1       6.160   1.273  -0.082  1.00  0.00           C  
HETATM    5  C   UNL     1       1.082   1.123  -1.054  1.00  0.00           C  
HETATM    6  C   UNL     1       3.464   1.849  -0.873  1.00  0.00           C  
HETATM    7  C   UNL     1       2.968  -0.513  -1.088  1.00  0.00           C  
HETATM    8  C   UNL     1       5.250   0.220  -0.750  1.00  0.00           C  
HETATM    9  C   UNL     1       0.613  -1.318  -1.319  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.782  -1.168   1.637  1.00  0.00           C  
HETATM   11  C   UNL     1       9.656   0.088   1.035  1.00  0.00           C  
HETATM   12  C   UNL     1       9.396  -1.270   1.039  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.189   1.712   1.016  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.797   0.433   0.740  1.00  0.00           C  
HETATM   15  C   UNL     1       8.660   0.978   0.684  1.00  0.00           C  
HETATM   16  C   UNL     1       8.143  -1.734   0.692  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.810  -1.231  -0.635  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.308   2.770   0.798  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.510   0.232   0.206  1.00  0.00           C  
HETATM   20  C   UNL     1       7.402   0.516   0.335  1.00  0.00           C  
HETATM   21  C   UNL     1       7.143  -0.842   0.339  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.051  -1.059  -0.117  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.618  -0.344  -1.424  1.00  0.00           C  
HETATM   24  C   UNL     1       5.708  -1.090  -0.074  1.00  0.00           C  
HETATM   25  C   UNL     1       2.032   2.147  -0.425  1.00  0.00           C  
HETATM   26  C   UNL     1       1.520  -0.286  -0.646  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.209   0.855   2.848  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.178  -1.931   0.371  1.00  0.00           C  
HETATM   29  N   UNL     1      -5.117   2.580   0.286  1.00  0.00           N  
HETATM   30  N   UNL     1       3.836   0.490  -0.459  1.00  0.00           N  
HETATM   31  N   UNL     1      -0.753  -1.174  -0.809  1.00  0.00           N  
HETATM   32  N   UNL     1      -5.922  -2.233   0.121  1.00  0.00           N1+
HETATM   33  O   UNL     1      -6.630  -2.275   1.111  1.00  0.00           O1-
HETATM   34  O   UNL     1      -1.290   0.228  -2.446  1.00  0.00           O  
HETATM   35  O   UNL     1      -5.929  -3.156  -0.673  1.00  0.00           O  
HETATM   36  O   UNL     1      -2.570   2.218  -0.773  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.507   0.062   1.697  1.00  0.00           O  
HETATM   38  H   UNL     1       6.416   2.057  -0.793  1.00  0.00           H  
HETATM   39  H   UNL     1       5.667   1.700   0.791  1.00  0.00           H  
HETATM   40  H   UNL     1       0.067   1.305  -0.703  1.00  0.00           H  
HETATM   41  H   UNL     1       1.115   1.215  -2.140  1.00  0.00           H  
HETATM   42  H   UNL     1       3.529   1.929  -1.959  1.00  0.00           H  
HETATM   43  H   UNL     1       4.145   2.567  -0.415  1.00  0.00           H  
HETATM   44  H   UNL     1       3.287  -1.510  -0.786  1.00  0.00           H  
HETATM   45  H   UNL     1       3.035  -0.422  -2.172  1.00  0.00           H  
HETATM   46  H   UNL     1       5.425   0.183  -1.825  1.00  0.00           H  
HETATM   47  H   UNL     1       0.617  -1.157  -2.397  1.00  0.00           H  
HETATM   48  H   UNL     1       0.979  -2.321  -1.100  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.018  -1.772   2.513  1.00  0.00           H  
HETATM   50  H   UNL     1       0.287  -0.960   1.616  1.00  0.00           H  
HETATM   51  H   UNL     1      10.635   0.452   1.307  1.00  0.00           H  
HETATM   52  H   UNL     1      10.174  -1.968   1.313  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.170   1.901   1.426  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.466  -0.399   0.903  1.00  0.00           H  
HETATM   55  H   UNL     1       8.864   2.039   0.681  1.00  0.00           H  
HETATM   56  H   UNL     1       7.941  -2.795   0.695  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.467  -2.226  -0.880  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.630   3.777   1.020  1.00  0.00           H  
HETATM   59  H   UNL     1       5.093  -1.300   0.801  1.00  0.00           H  
HETATM   60  H   UNL     1       5.656  -1.919  -0.781  1.00  0.00           H  
HETATM   61  H   UNL     1       1.751   3.150  -0.746  1.00  0.00           H  
HETATM   62  H   UNL     1       1.969   2.081   0.661  1.00  0.00           H  
HETATM   63  H   UNL     1       1.449  -0.390   0.437  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.454   0.294   3.749  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.149   1.106   2.852  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.799   1.772   2.819  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.693  -2.908   0.369  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.260  -2.062   0.348  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.007   2.440  -0.019  1.00  0.00           H  
CONECT    1    3    3   17   23                                       
CONECT    2   29   29   19    3                                       
CONECT    3    2   36    1    1                                       
CONECT    4    8   20   38   39                                       
CONECT    5   25   26   40   41                                       
CONECT    6   25   30   42   43                                       
CONECT    7   26   30   44   45                                       
CONECT    8   30    4   24   46                                       
CONECT    9   26   31   47   48                                       
CONECT   10   37   28   49   50                                       
CONECT   11   15   15   12   51                                       
CONECT   12   16   16   11   52                                       
CONECT   13   18   18   14   53                                       
CONECT   14   13   19   19   54                                       
CONECT   15   20   11   11   55                                       
CONECT   16   21   12   12   56                                       
CONECT   17   22   22    1   57                                       
CONECT   18   13   13   29   58                                       
CONECT   19   14   14    2   22                                       
CONECT   20    4   21   21   15                                       
CONECT   21   24   20   20   16                                       
CONECT   22   19   32   17   17                                       
CONECT   23    1   31   34   34                                       
CONECT   24    8   21   59   60                                       
CONECT   25    5    6   61   62                                       
CONECT   26    5    9    7   63                                       
CONECT   27   37   64   65   66                                       
CONECT   28   31   10   67   68                                       
CONECT   29   18    2    2                                            
CONECT   30    6    7    8                                            
CONECT   31    9   23   28                                            
CONECT   32   35   35   22   33                                       
CONECT   33   32                                                      
CONECT   34   23   23                                                 
CONECT   35   32   32                                                 
CONECT   36    3   69                                                 
CONECT   37   27   10                                                 
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   36                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
